SCHEMBL5735847

SCHEMBL5735847

CCOc1cc([C@H]2CCCC[C@H]2NC(=O)c2ccc(CCl)cc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
ATM Q13315 1/20 0.45
SSTR3 P32745 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5735842 1.00 TAS1R3 (0.48) TAS1R3TAS1R1ATMSSTR3ALDH1A1
SCHEMBL5735715 0.93 TAS1R3 (0.50) TAS1R3TAS1R1SSTR3ALDH1A1HPGD
SCHEMBL5735720 0.93 TAS1R3 (0.50) TAS1R3TAS1R1SSTR3ALDH1A1HPGD
SCHEMBL7415428 0.85 ALDH1A1 (0.47) TAS1R3TAS1R1ALDH1A1HPGDAPOBEC3G
SCHEMBL7415429 0.85 ALDH1A1 (0.47) TAS1R3TAS1R1ALDH1A1HPGDAPOBEC3G
SCHEMBL7202449 0.85 APOBEC3G (0.46) TAS1R3TAS1R1ATMSSTR3ALDH1A1
SCHEMBL7202446 0.85 APOBEC3G (0.46) TAS1R3TAS1R1ATMSSTR3ALDH1A1
SCHEMBL5734204 0.84 PDE4B (0.53) TAS1R3TAS1R1ALDH1A1HPGDAPOBEC3G
SCHEMBL6167355 0.84 PDE4B (0.53) TAS1R3TAS1R1ALDH1A1HPGDAPOBEC3G
SCHEMBL5734199 0.84 PDE4B (0.53) TAS1R3TAS1R1ALDH1A1HPGDAPOBEC3G

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed